A Molecular Dynamics SImulation of Norepinephrine Metabolites on Amyoid-Beta Proteins

Abstract

The cause of Alzheimer’s disease are the deposits of Amyloid-Beta (Aβ) protein fragments and the twisted fibers of tau proteins. These proteins build up inside the brain inducing the destruction and death of nerve cells which eventually results in symptoms such as memory failure, personality changes and more. To find a treatment for this disease, many studies have relied on using potential modulators to prevent the formation of the plaques and find potential cures. no molecular dynamics simulation has been done on norepinephrine to investigate the interaction with Aβ proteins. Hence, the purpose of this study is to observe and determine the exact mechanism involved in the interaction between 3,4-dihydroxymandelic acid (DHMA), normetanephrine (NMN), which are metabolites of norepinephrine, and amyloid-beta protein through molecular dynamics simulations.